N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C11H12N6 — CID 104731753

IUPACN-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCc3cnc[nH]3)nccn2n1
InChIInChI=1S/C11H12N6/c1-8-4-10-11(13-2-3-17(10)16-8)14-6-9-5-12-7-15-9/h2-5,7H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyDDYXSWGYWRHSBB-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.37
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731753) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731753
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCc3cnc[nH]3)nccn2n1
InChIInChI=1S/C11H12N6/c1-8-4-10-11(13-2-3-17(10)16-8)14-6-9-5-12-7-15-9/h2-5,7H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyDDYXSWGYWRHSBB-UHFFFAOYSA-N
XLogP1.37
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 104731753) is N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCc3cnc[nH]3)nccn2n1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DDYXSWGYWRHSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-8-4-10-11(13-2-3-17(10)16-8)14-6-9-5-12-7-15-9/h2-5,7H,6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 228.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).